1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C25H23N5O — CID 44822576

IUPAC1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccc5ccccc54)cc3)cc(C)nc21
InChIInChI=1S/C25H23N5O/c1-4-30-24-23(17(3)28-30)21(15-16(2)26-24)25(31)27-19-9-11-20(12-10-19)29-14-13-18-7-5-6-8-22(18)29/h5-15H,4H2,1-3H3,(H,27,31)
InChIKeyGVODVPOWFQOBBY-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.26
Rot. Bonds4

About 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44822576) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44822576
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccc5ccccc54)cc3)cc(C)nc21
InChIInChI=1S/C25H23N5O/c1-4-30-24-23(17(3)28-30)21(15-16(2)26-24)25(31)27-19-9-11-20(12-10-19)29-14-13-18-7-5-6-8-22(18)29/h5-15H,4H2,1-3H3,(H,27,31)
InChIKeyGVODVPOWFQOBBY-UHFFFAOYSA-N
XLogP5.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3,6-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533776
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
1-benzyl-N-(4-bromo-3-methylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823505
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533377
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 44822576) is 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccc5ccccc54)cc3)cc(C)nc21.
What is the InChIKey of 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is GVODVPOWFQOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-4-30-24-23(17(3)28-30)21(15-16(2)26-24)25(31)27-19-9-11-20(12-10-19)29-14-13-18-7-5-6-8-22(18)29/h5-15H,4H2,1-3H3,(H,27,31).
What are the key properties of 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).